3-azabicyclo[5.2.2]undeca-1(9),3,5,7-tetraene

C10H11N — CID 57240057

IUPAC3-azabicyclo[5.2.2]undeca-1(9),3,5,7-tetraene
SMILESC1=CC2=CC=C(CC2)C/N=C\1
InChIInChI=1S/C10H11N/c1-2-9-3-5-10(6-4-9)8-11-7-1/h1-3,5,7H,4,6,8H2/b2-1?,11-7-
InChIKeyKJAUUOXYLHKUMV-YPKGETMISA-N
MW145.20 g/mol
LogP2.27
Rot. Bonds

About 3-azabicyclo[5.2.2]undeca-1(9),3,5,7-tetraene

3-azabicyclo[5.2.2]undeca-1(9),3,5,7-tetraene (PubChem CID 57240057) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is 3-azabicyclo[5.2.2]undeca-1(9),3,5,7-tetraene.

Molecular Properties

Compound Name3-azabicyclo[5.2.2]undeca-1(9),3,5,7-tetraene
PubChem CID57240057
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name3-azabicyclo[5.2.2]undeca-1(9),3,5,7-tetraene
SMILESC1=CC2=CC=C(CC2)C/N=C\1
InChIInChI=1S/C10H11N/c1-2-9-3-5-10(6-4-9)8-11-7-1/h1-3,5,7H,4,6,8H2/b2-1?,11-7-
InChIKeyKJAUUOXYLHKUMV-YPKGETMISA-N
XLogP2.27
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,5-Dihydroisoquinoline
CID 91129745
Dihydrodibenzazepine
CID 87126010
4-(2,3-Dihydropyridin-4-yl)-2,3-dihydropyridine
CID 89219434
1H-indeno[1,2-c]pyridine
CID 17967584
1H-Cyclopenta[C]pyridine
CID 20059250
2H-3-benzazepine
CID 23177331
3a,4-dihydro-1H-isoindole
CID 54009157
5,6-dihydro-1H-isoindole
CID 54417462
7-propyl-6H-indole
CID 56638971
6-methylidene-4,7-dihydro-1H-isoquinoline
CID 57125600
5,6-dihydro-4H-indole
CID 57227928
6,7,8,8a-Tetrahydroquinoline
CID 57281165

Frequently Asked Questions

What is the IUPAC name of 3-azabicyclo[5.2.2]undeca-1(9),3,5,7-tetraene?
The IUPAC name of 3-azabicyclo[5.2.2]undeca-1(9),3,5,7-tetraene (CID 57240057) is 3-azabicyclo[5.2.2]undeca-1(9),3,5,7-tetraene.
What is the SMILES notation for 3-azabicyclo[5.2.2]undeca-1(9),3,5,7-tetraene?
The canonical SMILES for 3-azabicyclo[5.2.2]undeca-1(9),3,5,7-tetraene is C1=CC2=CC=C(CC2)C/N=C\1.
What is the InChIKey of 3-azabicyclo[5.2.2]undeca-1(9),3,5,7-tetraene?
The InChIKey is KJAUUOXYLHKUMV-YPKGETMISA-N. The full InChI is InChI=1S/C10H11N/c1-2-9-3-5-10(6-4-9)8-11-7-1/h1-3,5,7H,4,6,8H2/b2-1?,11-7-.
What are the key properties of 3-azabicyclo[5.2.2]undeca-1(9),3,5,7-tetraene?
3-azabicyclo[5.2.2]undeca-1(9),3,5,7-tetraene has a molecular weight of 145.20 g/mol, XLogP of 2.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azabicyclo[5.2.2]undeca-1(9),3,5,7-tetraene is sourced from PubChem (CID 57240057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).